gauravsdeshmukh / ChemGCNView external linksLinks
ChemGCN is a graph convolutional network to predict water solubilities of small molecules.
☆25Jan 3, 2024Updated 2 years ago
Alternatives and similar repositories for ChemGCN
Users that are interested in ChemGCN are comparing it to the libraries listed below
Sorting:
- Sequential Monte Carlo sampler for PyMC2 models.☆13Apr 4, 2018Updated 7 years ago
- ☆14Mar 23, 2021Updated 4 years ago
- Assemble an efficient interpretable machine learning workflow.☆26Dec 31, 2025Updated last month
- Reverse engineering neural networks☆31Oct 8, 2025Updated 4 months ago
- Bayesian Adaptive Spline Surfaces for flexible and automatic regression☆25Jan 31, 2026Updated 2 weeks ago
- STEM: Numerical model to simulate railway induced vibrations☆15Updated this week
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆29Jun 30, 2025Updated 7 months ago
- This project is divided in a two parts. In first study, Lame parameters are identified using tanh activation function. After that, six a…☆13Nov 17, 2022Updated 3 years ago
- Coupled surface-subsurface flow solver☆11Dec 20, 2025Updated last month
- Repository of D-Claw or Geoclaw applications.☆10Jun 5, 2024Updated last year
- Neural Error Mitigation of Near-Term Quantum Simulations (arXiv:2105.08086)☆10Jul 6, 2022Updated 3 years ago
- ☆10Jan 4, 2023Updated 3 years ago
- Copula fitting in Python.☆13Dec 4, 2023Updated 2 years ago
- Materials for First-Year Seminar in Statistics in Sports (Fall 2023) at Oxford College of Emory University☆13Sep 24, 2024Updated last year
- Rice Crop Yield Estimation Using Satellite Data - EY Open Science Data Challenge 2023☆10Jul 25, 2023Updated 2 years ago
- An open software for automatic landslide susceptibility analysis☆11Oct 22, 2025Updated 3 months ago
- Plugin for the SALOME platform to integrate the open source finite element framework KratosMultiphysics☆11Nov 10, 2021Updated 4 years ago
- ☆13Apr 8, 2025Updated 10 months ago
- Grid Generation☆11Mar 7, 2024Updated last year
- A python package for parsing metar & taf raw text☆11Oct 16, 2025Updated 4 months ago
- ☆13Aug 26, 2025Updated 5 months ago
- ParaAntiProt: Paratope Prediction Using Antibody and Protein Language Models☆10Jul 16, 2024Updated last year
- ☆12Apr 8, 2021Updated 4 years ago
- This project employs Python and TensorFlow to develop a robust image classification system. By analyzing images of railway tracks, the sy…☆12Aug 5, 2023Updated 2 years ago
- The Complete React Js and Redux Course - Build Modern Web Apps, published by Packt☆10Jan 30, 2023Updated 3 years ago
- ☆14Dec 2, 2024Updated last year
- Here, I provided the solution for exercises of IBM Quantum Challenge 2020☆10Oct 27, 2020Updated 5 years ago
- Prepare DEM file for InSAR☆12May 27, 2024Updated last year
- (ESWA-2025) Non-Euclidean Spectral-Spatial Feature Mining Network with Gated GCN-CNN for Hyperspectral Image Classification☆14Feb 13, 2025Updated last year
- Tree based algorithm in machine learning including both theory and codes. Topics including from decision tree regression and classificati…☆12Dec 7, 2021Updated 4 years ago
- Source code repository for the AISTAT 2023 paper Transport Reversible Jump Proposals.☆10Mar 3, 2023Updated 2 years ago
- ☆10Jul 22, 2024Updated last year
- A Reciprocal Statistic for Detecting the Full Range of Local Patterns of Bivariate Spatial Association☆11May 25, 2025Updated 8 months ago
- ☆18Feb 8, 2026Updated last week
- 提供一种Matlab绘制直线箭头以及非线性箭头的方式,可用以绘制坐标轴箭头。☆14Jul 13, 2020Updated 5 years ago
- ☆11Aug 10, 2022Updated 3 years ago
- App for serotonergic targets☆12Jan 8, 2026Updated last month
- nanobody melting temperature prediction using protein embeddings☆11Feb 24, 2025Updated 11 months ago
- ☆14Dec 3, 2024Updated last year